General Information of the Compound
| Compound ID |
CP0528018
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| Compound Name |
[(1R,3R,6R,8R,9R,10R,12R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-9,18-difluoro-3,12-dioxo-12-(propan-2-yloxycarbonyloxymethoxy)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]oxymethyl propan-2-yl carbonate
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| Structure |
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| Formula |
C30H38F2N10O16P2
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| Molecular Weight |
894.632
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| Canonical SMILES |
CC(C)OC(=O)OCO[P@]1(=O)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)OC(C)C)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C30H38F2N10O16P2/c1-13(2)53-29(43)47-11-51-59(45)49-5-15-22(18(32)28(55-15)42-10-40-20-24(34)36-8-38-26(20)42)58-60(46,52-12-48-30(44)54-14(3)4)50-6-16-21(57-59)17(31)27(56-16)41-9-39-19-23(33)35-7-37-25(19)41/h7-10,13-18,21-22,27-28H,5-6,11-12H2,1-4H3,(H2,33,35,37)(H2,34,36,38)/t15-,16-,17-,18-,21-,22-,27-,28-,59+,60+/m1/s1
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| InChIKey |
UGMNVCIBNWXGKF-GVDXARJFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03644, Stimulator of interferon genes protein